4.1. Generating a hopping graph¶

  • 4.1.1. Defining solvation sites — hop.sitemap
  • 4.1.2. Generating densities from trajectories — hop.density
  • 4.1.3. Using qhull to define regions for hopping analysis — hop.qhull
  • 4.1.4. Generating the hopping trajectory — hop.trajectory
  • 4.1.5. Generating and analyzing a hopping graph — hop.graph

Hop

Solvent analysis of MD simulations

Navigation

  • 1. Installation
  • 2. Background
  • 3. Quickstart: using the hop package — hop.interactive
  • 4. Hop package — hop

Related Topics

  • Documentation overview
    • 4. Hop package — hop
      • Previous: 4. Hop package — hop
      • Next: 4.1.1. Defining solvation sites — hop.sitemap

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